Over the last 100 years,significant advances have been made in the characterisation of milk composition for dairy cattle improvement programs.Technological progress has enabled a shift from labour intensive,on-farm co...Over the last 100 years,significant advances have been made in the characterisation of milk composition for dairy cattle improvement programs.Technological progress has enabled a shift from labour intensive,on-farm collection and processing of samples that assess yield and fat levels in milk,to large-scale processing of samples through centralised laboratories,with the scope extended to include quantification of other traits.Fourier-transform midinfrared(FT-MIR)spectroscopy has had a significant role in the transformation of milk composition phenotyping,with spectral-based predictions of major milk components already being widely used in milk payment and animal evaluation systems globally.Increasingly,there is interest in analysing the individual FT-MIR wavenumbers,and in utilising the FT-MIR data to predict other novel traits of importance to breeding programs.This includes traits related to the nutritional value of milk,the processability of milk into products such as cheese,and traits relevant to animal health and the environment.The ability to successfully incorporate these traits into breeding programs is dependent on the heritability of the FT-MIR predicted traits,and the genetic correlations between the FT-MIR predicted and actual trait values.Linking FT-MIR predicted traits to the underlying mutations responsible for their variation can be difficult because the phenotypic expression of these traits are a function of a diverse range of molecular and biological mechanisms that can obscure their genetic basis.The individual FT-MIR wavenumbers give insights into the chemical composition of milk and provide an additional layer of granularity that may assist with establishing causal links between the genome and observed phenotypes.Additionally,there are other molecular phenotypes such as those related to the metabolome,chromatin accessibility,and RNA editing that could improve our understanding of the underlying biological systems controlling traits of interest.Here we review topics of importance to phenotyping and genetic applications of FT-MIR spectra datasets,and discuss opportunities for consolidating FT-MIR datasets with other genomic and molecular data sources to improve future dairy cattle breeding programs.展开更多
Cyanobacteria are gram-negative photosynthetic bacteria capable of producing toxins responsible for morbidity and mortality in humans and domestic animals. They are capable of forming concentrated blooms, referred to ...Cyanobacteria are gram-negative photosynthetic bacteria capable of producing toxins responsible for morbidity and mortality in humans and domestic animals. They are capable of forming concentrated blooms, referred to as harmful algal blooms (HABs). Characterization of HABs is necessary to reduce risks from human and animal exposures to toxins. Current methods used to classify cyanobacteria and cyanotoxins have limitations related to time, analyst skills, and cost. Fourier-Transform Infrared Spectroscopy (FTIR) is a potential tool for rapid, robust cyanobacterial classification that is not limited by these factors. To examine the practicality of this method, library screening with default software algorithms was performed on HAB samples, followed by principle component cluster analyses and dendrogram analysis of samples meeting minimum quality requirements. Two tested spectrometers and software packages were successful at distinguishing cyanobacteria from green algae. Principle component cluster analysis and dendrogram analysis also resulted in clear differentiation between cyanobacteria and green algae. While these methods cannot be used independently to fully characterize HABs, they show the potential and practicality of FTIR as a screening tool.展开更多
The compost products of Camellia oleifera shell/meal mixed at different mass ratios were characterized by Fourier-transform infrared spectroscopy (FTIR) at different composting stages to monitor the structural changes...The compost products of Camellia oleifera shell/meal mixed at different mass ratios were characterized by Fourier-transform infrared spectroscopy (FTIR) at different composting stages to monitor the structural changes of their components. The results showed that the amount of Camellia oleifera meal significantly affected the composting rate of the shell, but did not change the degradation order and decomposition of the related compounds. During the composting process, microorganisms used the highly decomposable carbon source materials, such as proteins and sugars, first to grow and multiply, and then decomposed hemicellulose, cellulose and lignin by oxidative cleavage after these nutrients were consumed to a certain extent. The decomposition products were then condensed into more stable humic acids. The degradation rates of the compounds were directly proportional to the amount of Camellia oleifera?meal. The compounds in Camellia oleifera shell were composted faster with higher amounts of Camellia oleifera meals, resulting in less lignocellulose in the final products.展开更多
The present study establishes a visualization method for the measurement of the distribution and localization of protein/peptide constituents within a single poly-lactide-co-glycolide(PLGA) microsphere using synchrotr...The present study establishes a visualization method for the measurement of the distribution and localization of protein/peptide constituents within a single poly-lactide-co-glycolide(PLGA) microsphere using synchrotron radiation–based Fourier-transform infrared spectromicroscopy(SR-FTIR).The representative infrared wavenumbers specific for protein/peptide(Exenatide) and excipient(PLGA) were identified and chemical maps at the single microsphere level were generated by measuring and plotting the intensity of these specific bands.For quantitative analysis of the distribution within microspheres,Matlab software was used to transform the map file into a 3D matrix and the matrix values specific for the drug and excipient were extracted.Comparison of the normalized SR-FTIR maps of PLGA and Exenatide indicated that PLGA was uniformly distributed,while Exenatide was relatively non-uniformly distributed in the microspheres.In conclusion,SR-FTIR is a rapid,nondestructive and sensitive detection technology to provide the distribution of chemical constituents and functional groups in microparticles and microspheres.展开更多
Asphaltenes have always been an attractive subject for researchers.However,the application of this fraction of the geochemical field has only been studied in a limited way.In other words,despite many studies on asphal...Asphaltenes have always been an attractive subject for researchers.However,the application of this fraction of the geochemical field has only been studied in a limited way.In other words,despite many studies on asphaltene structure,the application of asphaltene structures in organic geochemistry has not so far been assessed.Oil-oil correlation is a wellknown concept in geochemical studies and plays a vital role in basin modeling and the reconstruction of the burial history of basin sediments,as well as accurate characterization of the relevant petroleum system.This study aims to propose the Xray diffraction(XRD)technique as a novel method for oil-oil correlation and investigate its reliability and accuracy for different crude oils.To this end,13 crude oil samples from the Iranian sector of the Persian Gulf region,which had previously been correlated by traditional geochemical tools such as biomarker ratios and isotope values,in four distinct genetic groups,were selected and their asphaltene fractions analyzed by two prevalent methods of XRD and Fouriertransform infrared spectroscopy(FTIR).For oil-oil correlation assessment,various cross-plots,as well as principal component analysis(PCA),were conducted,based on the structural parameters of the studied asphaltenes.The results indicate that asphaltene structural parameters can also be used for oil-oil correlation purposes,their results being completely in accord with the previous classifications.The average values of distance between saturated portions(d_(r))and the distance between two aromatic layers(d_(m))of asphaltene molecules belonging to the studied oil samples are 4.69Aand 3.54A,respectively.Furthermore,the average diameter of the aromatic sheets(L_(a)),the height of the clusters(L_(c)),the number of carbons per aromatic unit(C_(au)),the number of aromatic rings per layer(R_(a)),the number of sheets in the cluster(M_(e))and aromaticity(f_(a))values of these asphaltene samples are 10.09A,34.04A,17.42A,3.78A,10.61Aand 0.26A,respectively.The results of XRD parameters indicate that plots of dr vs.d_(m),d_(r) vs.M_(e),d_(r) vs.f_(a),d_(m) vs.L_(c),L_(c) vs.L_(a),and f_(a) vs.L_(a) perform appropriately for distinguishing genetic groups.A comparison between XRD and FTIR results indicated that the XRD method is more accurate for this purpose.In addition,decision tree classification,one of the most efficacious approaches of machine learning,was employed for the geochemical groups of this study for the first time.This tree,which was constructed using XRD data,can distinguish genetic groups accurately and can also determine the characteristics of each geochemical group.In conclusion,the obtaining of structural parameters for asphaltene by the XRD technique is a novel,precise and inexpensive method,which can be deployed as a new approach for oil-oil correlation goals.The findings of this study can help in the prompt determination of genetic groups as a screening method and can also be useful for assessing oil samples affected by secondary processes.展开更多
Objective:To explore an approach to rapidly and accurately identify the compounds as biomarkers of Chinese medicine(CM)syndromes.Method:The Fourier transform infrared(FT-IR)spectrometry was applied to investigat...Objective:To explore an approach to rapidly and accurately identify the compounds as biomarkers of Chinese medicine(CM)syndromes.Method:The Fourier transform infrared(FT-IR)spectrometry was applied to investigate the characteristic components of a mice model of Kidney(Shen)-yang deficiency syndrome(KDS),and the remedial effect of a typical CM formula Shenqi Pill(肾气丸).Thirty-six females and 18 males of Balb/c mice were randomly divided into KDS,Shenqi or control group.The females and males of the same group freely were mated for 96 h,and the males were taken out and only the female mice were raised.Females of the KDS group were threatened by a ferocious cat every other day for 14 d.After delivery,the KDS,or gestational threatened,offspring were raised at standard condition for 11 weeks.Then 10 male offspring were randomly selected,anaesthetized and their representative organs,i.e.testes,kidneys,lungs and feet were collected,for the FT-IR scan.Mice of the Shenqi group were intragastric administered Shenqi Pill;while mice in the KDS and control groups were given the same volume of saline.Results:The attenuated birth outcomes of the KDS group were displayed.The remarkable FT-IR differences of all organs between KDS mice and healthy control were mainly at 1,735-1,745 cm-1(indicating the increased levels of lipids)and at 1,640-1,647 cm-1and 1,539-1,544 cm-1(displaying the decreased proteins).No statistic FT-IR difference between Shenqi and control mice was observed.Conclusion:In accordance with major traits of KDS,prenatal stress extensively impaired the building up of proteins and resulting in the excessive lipid storage,and FT-IR could effectively identify the biomarkers of KDS.展开更多
The antioxidant of seeds was carried out using extracts from methanol and Silver Nanoparticles from the spice. The SEM shows the shapes, dispersion and agglomeration of the sample, while the EDX confirms the SEM and t...The antioxidant of seeds was carried out using extracts from methanol and Silver Nanoparticles from the spice. The SEM shows the shapes, dispersion and agglomeration of the sample, while the EDX confirms the SEM and the presence of some compounds. The FT-IR reveals the AgNP<sub>s</sub> capping and reducing the particular biomolecule from the functional group for identification. Compounds found in the FT-IR seeds of Capsicum annum are Ag L (Silver iodide), C K (Cyanogen chloride), P K (Phenol). Monodora myristica are Mo L (Molybdenum), Ag L (Silver iodide), C K (Cyanogen chloride), P K (Phenol), Mg K (Magnesium). Piper guineense are Ag L (Silver iodide), Ci K (Potassium chloride), C K (Cyanogen chloride), P K (Phenol). The seeds show that the AgNP<sub>S</sub> of CA and MM has a better antioxidant activity than the methanol of CA and MM, while the PG methanol has a better activity than the AgNP<sub>S</sub> PG. The control (Catechin and Galic acid) has a slight overall better DPPH activity than the AgNP<sub>S</sub>. It is important to note that there is a concentration dependency in CA, MM AgNP<sub>S,</sub> PG methanol respectively. Notably, at CA methanol, the conc. at 125 was higher than the conc. at 250. Hence, there is need to create a great part in using plant samples for making tabulated or capsulated drugs for treatment of diseases and using plant silver nanoparticles to develop a healthy food/drug preservative package material “smart packaging” that will enhance shelf-life.展开更多
Fluoride based glasses with composition CaF_2-ZnF_2-Bi_2 O_3-B_2 O_3 doped with chromium ions have been investigated using physical, optical, electron paramagnetic resonance(EPR), Fourier-transform infrared spectrosco...Fluoride based glasses with composition CaF_2-ZnF_2-Bi_2 O_3-B_2 O_3 doped with chromium ions have been investigated using physical, optical, electron paramagnetic resonance(EPR), Fourier-transform infrared spectroscopy(FTIR), and Raman studies. The amorphous nature of samples was confirmed from x-ray diffraction spectra. The density is evaluated from the Archimedes principle and the values of optical band gap and Urbach energy values were evaluated from the optical absorption spectra. Thus, molar volume, refractive index, etc., were also evaluated. The observed decrease in density and the optical band gap with CaF2 is explained using the crystalline density of metal fluorides and the ionicity of fluorine ions,respectively. The three peaks near 450 nm, 606 nm, and 720 nm, which are shown in the absorption spectra, are accredited to ~4 A)(2 g) → ~4 T_(1 g), ~4 A_(2 g)→ ~4 T_(2 g), ~4 A_(2 g)→~2 E transitions, respectively. Resonance signals at g≈ 4.82 and g≈ 1.99 were observed in EPR spectra which are assigned. FTIR and Raman analysis were carried out to examine the impact of metal fluorides on the structure of bismuth borate glasses.展开更多
The infrared absorbance peaks at 2 852.4, 2 924.3, 2963.0 and 3 034.9 cm-1 have been observed in diamond films made by the direct current arc discharge plasma chemical vapor deposition. Three former absorbance peaks h...The infrared absorbance peaks at 2 852.4, 2 924.3, 2963.0 and 3 034.9 cm-1 have been observed in diamond films made by the direct current arc discharge plasma chemical vapor deposition. Three former absorbance peaks have been assigned to C-H stretching in SP3 configuration, 3 034.9 cm-1 has been assigned to C-H stretching in SP2 configuration. The展开更多
Potassium carbonate-based sorbents are prospective materials for direct air capture(DAC).In the present study,we examined and revealed the influence of the temperature swing adsorption(TSA)cycle conditions on the CO_(...Potassium carbonate-based sorbents are prospective materials for direct air capture(DAC).In the present study,we examined and revealed the influence of the temperature swing adsorption(TSA)cycle conditions on the CO_(2) sorption properties of a novel aerogel-based K_(2)CO_(3)/ZrO_(2) sorbent in a DAC process.It was shown that the humidity and temperature drastically affect the sorption dynamic and sorption capacity of the sorbent.When a temperature at the sorption stage was 29℃ and a water vapor pressure P_(H2O) in the feed air was 5.2 mbar(1 bar=105 Pa),the composite material demonstrated a stable CO_(2) sorption capacity of 3.4%(mass).An increase in sorption temperature leads to a continuous decrease in the CO_(2) absorption capacity reaching a value of 0.7%(mass)at T=80℃.The material showed the retention of a stable CO_(2) sorption capacity for many cycles at each temperature in the range.Increasing PH2O in the inlet air from 5.2 to 6.8 mbar leads to instability of CO_(2) sorption capacity which decreases in the course of 3 consecutive TSA cycles from 1.7%to 0.8%(mass)at T=29℃.A further increase in air humidity only facilitates the deterioration of the CO_(2) sorption capacity of the material.A possible explanation for this phenomenon could be the filling of the porous system of the sorbent with solid reaction products and an aqueous solution of potassium salts,which leads to a significant slowdown in the CO_(2) diffusion in the composite sorbent grain.To investigate the regeneration step of the TSA cycle in situ,the macro ATRFTIR(attenuated total reflection Fourier-transform infrared)spectroscopic imaging was applied for the first time.It was shown that the migration of carbonate-containing species over the surface of sorbent occurs during the thermal regeneration stage of the TSA cycle.The movement of the active component in the porous matrix of the sorbent can affect the sorption characteristics of the composite material.The revealed features make it possible to formulate the requirements and limitations that need to be taken into account for the practical implementation of the DAC process using the K_(2)CO_(3)/ZrO_(2) composite sorbent.展开更多
In recent days, the applications of silica-based nanoparticles have gained much attention. The preparation of mesoporous silicas is usually achieved via the modified Stöber method, the reaction attained by the hy...In recent days, the applications of silica-based nanoparticles have gained much attention. The preparation of mesoporous silicas is usually achieved via the modified Stöber method, the reaction attained by the hydrolysis and condensation of silica precursors present within a medium containing template, solvent, deionized water (DI-W) and base. Therefore, the current study aimed to prepare and characterize mesoporous silicas by using tetramethoxysilane (TMOS) as silica precursor and ethylene glycol (Et-G) as solvent. The study was based on the template dodecyltrimethylammonium bromide (C<sub>12</sub>TMABr) and sodium hydroxide used as an alkaline agent. Mesoporous silicas were prepared in various batches based on TMOS molar concentration, ionized water, NaOH, and other solvents. The characterization of mesoporous silicas was achieved based on their specific surface area, pore size distribution and morphology using different instruments: Brunauer, Emmett & Teller (BET), scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FT-IR), and thermalgravimetric analysis (TGA). The study revealed that shape, average particle sizes “35 to 550 nm”, average pore radius “1.62 - 4.5 nm” and surface area “350 - 1204 m<sup>2</sup>·g<sup>-1</sup>” of obtained mesoporous silica particles were altered based on precursor concentration and other factors. Therefore, it is important to get the most suitable concentration of all chemicals in the preparation of mesoporous silicas to control the particle characteristics to use them upon their further applications. This is the baseline study that provides details regarding prepared silica particles with controlled characteristics, and more studies related to its applications are still in process.展开更多
Proteinaceous infectious particles(prions) are unique pathogens as they are devoid of any coding nucleic acid.Whilst it is assumed that prion disease is transmitted by a misfolded isoform of the cellular prion protein...Proteinaceous infectious particles(prions) are unique pathogens as they are devoid of any coding nucleic acid.Whilst it is assumed that prion disease is transmitted by a misfolded isoform of the cellular prion protein, the structural insight of prions is still vague and research for high resolution structural information of prions is still ongoing. In this review, techniques that may contribute to the clarification of the conformation of prions are presented and discussed.展开更多
Carboxymethyl cellulose(CMC) fibers were produced by extruding the CMC solution into the metal salt coagulation bath and collected with a winding machine.It was found that copper chloride,ferric chloride,cerium chlori...Carboxymethyl cellulose(CMC) fibers were produced by extruding the CMC solution into the metal salt coagulation bath and collected with a winding machine.It was found that copper chloride,ferric chloride,cerium chloride,lanthanum chloride and aluminum nitrate solution could be used as coagulation bath to prepare CMC fibers,whereas the metal salt solutions,such as nickel chloride,zinc chloride,calcium chloride and magnesium chloride,could not.The fiber formation is due to the coordination between the carboxylates of CMC and metal ion.Fourier transform infrared spectroscopy(FTIR) was applied to studying the coordination mode of CMC and metal ion.The metal salt concentration,pH value and temperature of the coagulation bath affect the tenacity and elongation of the fiber.CMC fibers show good water uptake ability and can adsorb water more than 200% of its own weight.The mechanical behaviors of CMC fiber show dependence on environment humidity.展开更多
Purpose: The purpose of this study is to assess molecular interactions between several anticancer drugs and an iodinated contrast medium by Fourier transform infrared spectroscopy (FT-IR) and ultraviolet-visible spect...Purpose: The purpose of this study is to assess molecular interactions between several anticancer drugs and an iodinated contrast medium by Fourier transform infrared spectroscopy (FT-IR) and ultraviolet-visible spectroscopy (UV-Vis). Materials and Methods: Iopamidol (IPM) was used as an iodinated contrast medium, and mitomycin C (MTI), epirubicin hydrochloride (EPI), cisplatin (CDDP), 5-fluorouracil (5FU), irinotecan hydrochloride (CPT11), gemcitabine hydrochloride (dFdC), carboplatin (CBDCA), oxaliplatin (1OHP), paclitaxel hydrochloride (TAX) and docetaxel trihydrate (TXT) were used as anticancer drugs. For FT-IR, the purified IPM was mixed stoichiometrically with each anticancer drug as well as with a combination of MTI and EPI. After measuring each separated sample and the mixtures, the spectra of the mixtures were compared with the spectra of the sum of pure samples or the combination. For UV-Vis, IPM and anticancer drugs were dissolved in pure water;subsequently for the titration experiments, the mixtures were prepared by varying the molar ratio. IR absorption corresponds to stretching vibrations between atoms having covalent bonding, whereas UV-Vis spectra depend on molecular dynamics and shapes. Both UV-Vis and IR spectra change when there are molecular interactions such as aromatic ring stacking and hydrogen bonding. Result: IPM exhibited molecular interactions with MTI, EPI, CDDP, dFdC, CBDCA, 1OHP, TAX and TXT, as well as with the combination of MTI and EPI on FT-IR. However, molecular interactions were not observed on UV-Vis. Conclusion: Several anticancer drugs have molecular interactions with IPM, which could be clinically utilized for superselective intraarterial infusion chemotherapy.展开更多
Humic-like substances(HULIS)are a major component of brown carbon and consequently play a major role in climate change.In this study,70 PM_(2.5) samples were collected from Xi'an in winter 2019 and summer 2020.Neu...Humic-like substances(HULIS)are a major component of brown carbon and consequently play a major role in climate change.In this study,70 PM_(2.5) samples were collected from Xi'an in winter 2019 and summer 2020.Neutral HULIS(HULIS-n),acidic HULIS(HULIS-a),and high-polarity water-soluble organic compounds(HP-WSOC)were analyzed to determine their carbon concentrations and measure their ultraviolet-visible absorption and infrared spectra.Of the three components,HULIS-n had the highest carbon content in both winter(3.29±1.45μg m^(-3))and in summer(1.38±1.10μg m^(-3)).The semi-quantitative results for the functional groups revealed that HP-WSOC was rich in carboxylic acids and had high aromaticity in winter,whereas HULIS-n was rich in carboxylic acids in summer.Moreover,HULJS-a was richer in nitrate esters and saturated aliphatic hydrocarbons in summer than in winter.The results for specific ultraviolet absorbance(SUVA)and E_(250)/E_(365) revealed that HULIS had higher molecular weight and aromaticity in winter than in summer.HULIS-n dominated in the total light absorption of HULIS+HP-WSOC in both winter(73.08%)and summer(48.57%).Overall,the results on the carbon content,optical properties,and functional groups of WSOCs with differing polarity can improve un-derstanding of environmental and climatic effects.展开更多
A novel test rig for the investigation of radiative heat transfer in packed beds has been developed and is introduced with representative experimental results.The individual components and the calibration are discusse...A novel test rig for the investigation of radiative heat transfer in packed beds has been developed and is introduced with representative experimental results.The individual components and the calibration are discussed.The generic packed bed is realized in a simplified way by an arrangement of parallel rods,which represent particles in pseudo-2D.In this arrangement,electrically heated rods provide the radiation propagating through the rod array to heat the passive counterparts.A sophisticated temperature-control scheme with a large number of thermocouples and infrared-imaging provides in-depth information about heat transfer in the system.Spectral radiation intensities are determined with a Fourier-transform infrared spectroscopy,which has been modified and validated for this specific application.In order to compare the influence of different surface properties of particles on the heat propagation and surface reflections,rod samples made of stainless steel and magnesium oxide are used.The influence of material properties becomes clearly visible by comparing the high radiation intensities resulting from a stainless steel rod array to the same geometry built from magnesium oxide rods.In addition,the influence of the surface properties is particularly evident in the infrared images since the reflections are significantly higher for the stainless steel samples than for the magnesium oxide samples.The experimental results in the current work demonstrate the ability of the test rig to provide data with a well-defined accuracy as a validation base for numerical radiation simulations in packed beds.展开更多
To clarify the effect of aluminum stress on the quality of Enteromorpha prolifera(E.prolifera)and to explore the mechanism of the combination of aluminum and E.prolifera,we analyzed changes in the nutrients,micromorph...To clarify the effect of aluminum stress on the quality of Enteromorpha prolifera(E.prolifera)and to explore the mechanism of the combination of aluminum and E.prolifera,we analyzed changes in the nutrients,micromorphology,element distribution,and spectrum of E.prolifera treated with different concentrations of aluminum(0,0.2,2.0,and 20.0μmol· L^(-1))using scanning electron microscopy-energy dispersive spectroscopy(SEM-EDX)and Fourier-transform infrared spectroscopy(FT-IR).The biomass,protein,dietary fiber,and ash contents of E.prolifera initially increased and then subsequently decreased with an increasing concentration of aluminum.Meanwhile,the total amount of amino acids decreased.Scanning the surface of E.prolifera by SEM-EDX revealed that a high concentration of aluminum damaged the cells of E.prolifera.Additionally,the content of aluminum on the surface of E.prolifera cells increased and the absorption of other elements was also affected.The FT-IR analysis showed that aluminum might combine with the functional groups at the 3408 cm^(-)1,2928 cm1,and 1072 cm^(-)1 peaks in E.prolifera and alter the characteristic of the different absorption peaks.展开更多
The fluorogenic property of guaiacol was exploited for the first time to analyze the interaction with target protein as a probe by molecular modeling, fluorescence, circular dichroism (CD) and Fourier transform infrar...The fluorogenic property of guaiacol was exploited for the first time to analyze the interaction with target protein as a probe by molecular modeling, fluorescence, circular dichroism (CD) and Fourier transform infrared (FT-IR) spectroscopy. Molecular docking was performed to reveal the possible binding mode or mechanism and suggested that guaiacol can strongly bind to human immu- noglobulin (HIgG). It is considered that guaiacol binds to HIgG mainly by a hydrophobic interaction and there are two hydrogen bond interactions between the drug and the residues LEU 80 and ASP 65, which is in good agreement with the results from the experimental thermodynamic parameters (the enthalpy change △H0 and the entropy change △S0 were calculated to be 65.55 kJ·mol-1 and 132.95 J·mol-1·K-1 according to the Vant’ Hoff equation). Data obtained by the fluorescence spectroscopy indicated that binding of guaiacol with HIgG leads to dramatic enhancement in the fluorescence emission intensity along with significant occurrence of efficient Frster resonance energy transfer (FRET) from the residue of HIgG to the protein bound guaiacol. From the low value of fluorescence anisotropy (r = 0.06), it is argued that the probe molecule is located in the motionally unrestricted environment of the protein. The alterations of protein’s secondary structure in the presence of guaiacol in aqueous solution were quantitatively calculated by the evidences from FT-IR and CD spectroscopes.展开更多
Forsterite, a new biocompatible material was synthesized from Mg(NO3)2.6H20 and TEOS by using the sol-gel method. The material was then heated at 800, 900 and 1000 ℃. The forsterite was noticed as the main crystall...Forsterite, a new biocompatible material was synthesized from Mg(NO3)2.6H20 and TEOS by using the sol-gel method. The material was then heated at 800, 900 and 1000 ℃. The forsterite was noticed as the main crystalline phase in the material fired at 900 and 1000 ℃, while periclase (MgO) was present in all the samples. The tests confirm that in the first two samples forsterite is present as crystallites 〈60 nm, while in the sample synthesized at 1000 ℃ it forms aggregates of micrometre-sized grains. In vitro test was performed by immersing the forsterite powder in the simulating body fluids (SBF) and hydroxyapatite formation on the surface was investigated. We could evidence the formation of hydroxyapatite on the forsterite surface after 7 days of immersion. The MTT test confirmed that forsterite powders dissolution promote osteoblast proliferation of the human-type osteoblasts with no significant cytotoxicity effects.展开更多
基金funded by Livestock Improvement Corporation(LIC)the New Zealand Ministry for Primary Industries,through the Sustainable Food&Fibre Futures programme.
文摘Over the last 100 years,significant advances have been made in the characterisation of milk composition for dairy cattle improvement programs.Technological progress has enabled a shift from labour intensive,on-farm collection and processing of samples that assess yield and fat levels in milk,to large-scale processing of samples through centralised laboratories,with the scope extended to include quantification of other traits.Fourier-transform midinfrared(FT-MIR)spectroscopy has had a significant role in the transformation of milk composition phenotyping,with spectral-based predictions of major milk components already being widely used in milk payment and animal evaluation systems globally.Increasingly,there is interest in analysing the individual FT-MIR wavenumbers,and in utilising the FT-MIR data to predict other novel traits of importance to breeding programs.This includes traits related to the nutritional value of milk,the processability of milk into products such as cheese,and traits relevant to animal health and the environment.The ability to successfully incorporate these traits into breeding programs is dependent on the heritability of the FT-MIR predicted traits,and the genetic correlations between the FT-MIR predicted and actual trait values.Linking FT-MIR predicted traits to the underlying mutations responsible for their variation can be difficult because the phenotypic expression of these traits are a function of a diverse range of molecular and biological mechanisms that can obscure their genetic basis.The individual FT-MIR wavenumbers give insights into the chemical composition of milk and provide an additional layer of granularity that may assist with establishing causal links between the genome and observed phenotypes.Additionally,there are other molecular phenotypes such as those related to the metabolome,chromatin accessibility,and RNA editing that could improve our understanding of the underlying biological systems controlling traits of interest.Here we review topics of importance to phenotyping and genetic applications of FT-MIR spectra datasets,and discuss opportunities for consolidating FT-MIR datasets with other genomic and molecular data sources to improve future dairy cattle breeding programs.
文摘Cyanobacteria are gram-negative photosynthetic bacteria capable of producing toxins responsible for morbidity and mortality in humans and domestic animals. They are capable of forming concentrated blooms, referred to as harmful algal blooms (HABs). Characterization of HABs is necessary to reduce risks from human and animal exposures to toxins. Current methods used to classify cyanobacteria and cyanotoxins have limitations related to time, analyst skills, and cost. Fourier-Transform Infrared Spectroscopy (FTIR) is a potential tool for rapid, robust cyanobacterial classification that is not limited by these factors. To examine the practicality of this method, library screening with default software algorithms was performed on HAB samples, followed by principle component cluster analyses and dendrogram analysis of samples meeting minimum quality requirements. Two tested spectrometers and software packages were successful at distinguishing cyanobacteria from green algae. Principle component cluster analysis and dendrogram analysis also resulted in clear differentiation between cyanobacteria and green algae. While these methods cannot be used independently to fully characterize HABs, they show the potential and practicality of FTIR as a screening tool.
文摘The compost products of Camellia oleifera shell/meal mixed at different mass ratios were characterized by Fourier-transform infrared spectroscopy (FTIR) at different composting stages to monitor the structural changes of their components. The results showed that the amount of Camellia oleifera meal significantly affected the composting rate of the shell, but did not change the degradation order and decomposition of the related compounds. During the composting process, microorganisms used the highly decomposable carbon source materials, such as proteins and sugars, first to grow and multiply, and then decomposed hemicellulose, cellulose and lignin by oxidative cleavage after these nutrients were consumed to a certain extent. The decomposition products were then condensed into more stable humic acids. The degradation rates of the compounds were directly proportional to the amount of Camellia oleifera?meal. The compounds in Camellia oleifera shell were composted faster with higher amounts of Camellia oleifera meals, resulting in less lignocellulose in the final products.
基金financial support from the National Natural Science Foundation of China (Nos.81273453 and 81430087)
文摘The present study establishes a visualization method for the measurement of the distribution and localization of protein/peptide constituents within a single poly-lactide-co-glycolide(PLGA) microsphere using synchrotron radiation–based Fourier-transform infrared spectromicroscopy(SR-FTIR).The representative infrared wavenumbers specific for protein/peptide(Exenatide) and excipient(PLGA) were identified and chemical maps at the single microsphere level were generated by measuring and plotting the intensity of these specific bands.For quantitative analysis of the distribution within microspheres,Matlab software was used to transform the map file into a 3D matrix and the matrix values specific for the drug and excipient were extracted.Comparison of the normalized SR-FTIR maps of PLGA and Exenatide indicated that PLGA was uniformly distributed,while Exenatide was relatively non-uniformly distributed in the microspheres.In conclusion,SR-FTIR is a rapid,nondestructive and sensitive detection technology to provide the distribution of chemical constituents and functional groups in microparticles and microspheres.
文摘Asphaltenes have always been an attractive subject for researchers.However,the application of this fraction of the geochemical field has only been studied in a limited way.In other words,despite many studies on asphaltene structure,the application of asphaltene structures in organic geochemistry has not so far been assessed.Oil-oil correlation is a wellknown concept in geochemical studies and plays a vital role in basin modeling and the reconstruction of the burial history of basin sediments,as well as accurate characterization of the relevant petroleum system.This study aims to propose the Xray diffraction(XRD)technique as a novel method for oil-oil correlation and investigate its reliability and accuracy for different crude oils.To this end,13 crude oil samples from the Iranian sector of the Persian Gulf region,which had previously been correlated by traditional geochemical tools such as biomarker ratios and isotope values,in four distinct genetic groups,were selected and their asphaltene fractions analyzed by two prevalent methods of XRD and Fouriertransform infrared spectroscopy(FTIR).For oil-oil correlation assessment,various cross-plots,as well as principal component analysis(PCA),were conducted,based on the structural parameters of the studied asphaltenes.The results indicate that asphaltene structural parameters can also be used for oil-oil correlation purposes,their results being completely in accord with the previous classifications.The average values of distance between saturated portions(d_(r))and the distance between two aromatic layers(d_(m))of asphaltene molecules belonging to the studied oil samples are 4.69Aand 3.54A,respectively.Furthermore,the average diameter of the aromatic sheets(L_(a)),the height of the clusters(L_(c)),the number of carbons per aromatic unit(C_(au)),the number of aromatic rings per layer(R_(a)),the number of sheets in the cluster(M_(e))and aromaticity(f_(a))values of these asphaltene samples are 10.09A,34.04A,17.42A,3.78A,10.61Aand 0.26A,respectively.The results of XRD parameters indicate that plots of dr vs.d_(m),d_(r) vs.M_(e),d_(r) vs.f_(a),d_(m) vs.L_(c),L_(c) vs.L_(a),and f_(a) vs.L_(a) perform appropriately for distinguishing genetic groups.A comparison between XRD and FTIR results indicated that the XRD method is more accurate for this purpose.In addition,decision tree classification,one of the most efficacious approaches of machine learning,was employed for the geochemical groups of this study for the first time.This tree,which was constructed using XRD data,can distinguish genetic groups accurately and can also determine the characteristics of each geochemical group.In conclusion,the obtaining of structural parameters for asphaltene by the XRD technique is a novel,precise and inexpensive method,which can be deployed as a new approach for oil-oil correlation goals.The findings of this study can help in the prompt determination of genetic groups as a screening method and can also be useful for assessing oil samples affected by secondary processes.
基金Supported by the National Natural Sciences Foundation ofChina(No.30171126 and 30873316)
文摘Objective:To explore an approach to rapidly and accurately identify the compounds as biomarkers of Chinese medicine(CM)syndromes.Method:The Fourier transform infrared(FT-IR)spectrometry was applied to investigate the characteristic components of a mice model of Kidney(Shen)-yang deficiency syndrome(KDS),and the remedial effect of a typical CM formula Shenqi Pill(肾气丸).Thirty-six females and 18 males of Balb/c mice were randomly divided into KDS,Shenqi or control group.The females and males of the same group freely were mated for 96 h,and the males were taken out and only the female mice were raised.Females of the KDS group were threatened by a ferocious cat every other day for 14 d.After delivery,the KDS,or gestational threatened,offspring were raised at standard condition for 11 weeks.Then 10 male offspring were randomly selected,anaesthetized and their representative organs,i.e.testes,kidneys,lungs and feet were collected,for the FT-IR scan.Mice of the Shenqi group were intragastric administered Shenqi Pill;while mice in the KDS and control groups were given the same volume of saline.Results:The attenuated birth outcomes of the KDS group were displayed.The remarkable FT-IR differences of all organs between KDS mice and healthy control were mainly at 1,735-1,745 cm-1(indicating the increased levels of lipids)and at 1,640-1,647 cm-1and 1,539-1,544 cm-1(displaying the decreased proteins).No statistic FT-IR difference between Shenqi and control mice was observed.Conclusion:In accordance with major traits of KDS,prenatal stress extensively impaired the building up of proteins and resulting in the excessive lipid storage,and FT-IR could effectively identify the biomarkers of KDS.
文摘The antioxidant of seeds was carried out using extracts from methanol and Silver Nanoparticles from the spice. The SEM shows the shapes, dispersion and agglomeration of the sample, while the EDX confirms the SEM and the presence of some compounds. The FT-IR reveals the AgNP<sub>s</sub> capping and reducing the particular biomolecule from the functional group for identification. Compounds found in the FT-IR seeds of Capsicum annum are Ag L (Silver iodide), C K (Cyanogen chloride), P K (Phenol). Monodora myristica are Mo L (Molybdenum), Ag L (Silver iodide), C K (Cyanogen chloride), P K (Phenol), Mg K (Magnesium). Piper guineense are Ag L (Silver iodide), Ci K (Potassium chloride), C K (Cyanogen chloride), P K (Phenol). The seeds show that the AgNP<sub>S</sub> of CA and MM has a better antioxidant activity than the methanol of CA and MM, while the PG methanol has a better activity than the AgNP<sub>S</sub> PG. The control (Catechin and Galic acid) has a slight overall better DPPH activity than the AgNP<sub>S</sub>. It is important to note that there is a concentration dependency in CA, MM AgNP<sub>S,</sub> PG methanol respectively. Notably, at CA methanol, the conc. at 125 was higher than the conc. at 250. Hence, there is need to create a great part in using plant samples for making tabulated or capsulated drugs for treatment of diseases and using plant silver nanoparticles to develop a healthy food/drug preservative package material “smart packaging” that will enhance shelf-life.
文摘Fluoride based glasses with composition CaF_2-ZnF_2-Bi_2 O_3-B_2 O_3 doped with chromium ions have been investigated using physical, optical, electron paramagnetic resonance(EPR), Fourier-transform infrared spectroscopy(FTIR), and Raman studies. The amorphous nature of samples was confirmed from x-ray diffraction spectra. The density is evaluated from the Archimedes principle and the values of optical band gap and Urbach energy values were evaluated from the optical absorption spectra. Thus, molar volume, refractive index, etc., were also evaluated. The observed decrease in density and the optical band gap with CaF2 is explained using the crystalline density of metal fluorides and the ionicity of fluorine ions,respectively. The three peaks near 450 nm, 606 nm, and 720 nm, which are shown in the absorption spectra, are accredited to ~4 A)(2 g) → ~4 T_(1 g), ~4 A_(2 g)→ ~4 T_(2 g), ~4 A_(2 g)→~2 E transitions, respectively. Resonance signals at g≈ 4.82 and g≈ 1.99 were observed in EPR spectra which are assigned. FTIR and Raman analysis were carried out to examine the impact of metal fluorides on the structure of bismuth borate glasses.
文摘The infrared absorbance peaks at 2 852.4, 2 924.3, 2963.0 and 3 034.9 cm-1 have been observed in diamond films made by the direct current arc discharge plasma chemical vapor deposition. Three former absorbance peaks have been assigned to C-H stretching in SP3 configuration, 3 034.9 cm-1 has been assigned to C-H stretching in SP2 configuration. The
基金This work was supported by Russian Science Foundation(19-73-00079).The authors also thank Leonova A.A.for performing N2 adsorption measurements.
文摘Potassium carbonate-based sorbents are prospective materials for direct air capture(DAC).In the present study,we examined and revealed the influence of the temperature swing adsorption(TSA)cycle conditions on the CO_(2) sorption properties of a novel aerogel-based K_(2)CO_(3)/ZrO_(2) sorbent in a DAC process.It was shown that the humidity and temperature drastically affect the sorption dynamic and sorption capacity of the sorbent.When a temperature at the sorption stage was 29℃ and a water vapor pressure P_(H2O) in the feed air was 5.2 mbar(1 bar=105 Pa),the composite material demonstrated a stable CO_(2) sorption capacity of 3.4%(mass).An increase in sorption temperature leads to a continuous decrease in the CO_(2) absorption capacity reaching a value of 0.7%(mass)at T=80℃.The material showed the retention of a stable CO_(2) sorption capacity for many cycles at each temperature in the range.Increasing PH2O in the inlet air from 5.2 to 6.8 mbar leads to instability of CO_(2) sorption capacity which decreases in the course of 3 consecutive TSA cycles from 1.7%to 0.8%(mass)at T=29℃.A further increase in air humidity only facilitates the deterioration of the CO_(2) sorption capacity of the material.A possible explanation for this phenomenon could be the filling of the porous system of the sorbent with solid reaction products and an aqueous solution of potassium salts,which leads to a significant slowdown in the CO_(2) diffusion in the composite sorbent grain.To investigate the regeneration step of the TSA cycle in situ,the macro ATRFTIR(attenuated total reflection Fourier-transform infrared)spectroscopic imaging was applied for the first time.It was shown that the migration of carbonate-containing species over the surface of sorbent occurs during the thermal regeneration stage of the TSA cycle.The movement of the active component in the porous matrix of the sorbent can affect the sorption characteristics of the composite material.The revealed features make it possible to formulate the requirements and limitations that need to be taken into account for the practical implementation of the DAC process using the K_(2)CO_(3)/ZrO_(2) composite sorbent.
文摘In recent days, the applications of silica-based nanoparticles have gained much attention. The preparation of mesoporous silicas is usually achieved via the modified Stöber method, the reaction attained by the hydrolysis and condensation of silica precursors present within a medium containing template, solvent, deionized water (DI-W) and base. Therefore, the current study aimed to prepare and characterize mesoporous silicas by using tetramethoxysilane (TMOS) as silica precursor and ethylene glycol (Et-G) as solvent. The study was based on the template dodecyltrimethylammonium bromide (C<sub>12</sub>TMABr) and sodium hydroxide used as an alkaline agent. Mesoporous silicas were prepared in various batches based on TMOS molar concentration, ionized water, NaOH, and other solvents. The characterization of mesoporous silicas was achieved based on their specific surface area, pore size distribution and morphology using different instruments: Brunauer, Emmett & Teller (BET), scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FT-IR), and thermalgravimetric analysis (TGA). The study revealed that shape, average particle sizes “35 to 550 nm”, average pore radius “1.62 - 4.5 nm” and surface area “350 - 1204 m<sup>2</sup>·g<sup>-1</sup>” of obtained mesoporous silica particles were altered based on precursor concentration and other factors. Therefore, it is important to get the most suitable concentration of all chemicals in the preparation of mesoporous silicas to control the particle characteristics to use them upon their further applications. This is the baseline study that provides details regarding prepared silica particles with controlled characteristics, and more studies related to its applications are still in process.
基金Supported by Alberta Prion Research Institute,Canada(Project title:"Comprehensive Risk Assessment of CWD Transmission to Humans Using Non-human Primates")European Metrology Research Programme(EMRP)Researcher Grant:HLT10-Bi Origin(Metrology for the Biomolecular Origin of Disease)
文摘Proteinaceous infectious particles(prions) are unique pathogens as they are devoid of any coding nucleic acid.Whilst it is assumed that prion disease is transmitted by a misfolded isoform of the cellular prion protein, the structural insight of prions is still vague and research for high resolution structural information of prions is still ongoing. In this review, techniques that may contribute to the clarification of the conformation of prions are presented and discussed.
基金National Natural Science Foundation of China(No.51373032)Innovation Program of Shanghai Municipal Education Commission,China+1 种基金Fundamental Research Funds for the Central University,ChinaDHU Distinguished Young Professor Program,China
文摘Carboxymethyl cellulose(CMC) fibers were produced by extruding the CMC solution into the metal salt coagulation bath and collected with a winding machine.It was found that copper chloride,ferric chloride,cerium chloride,lanthanum chloride and aluminum nitrate solution could be used as coagulation bath to prepare CMC fibers,whereas the metal salt solutions,such as nickel chloride,zinc chloride,calcium chloride and magnesium chloride,could not.The fiber formation is due to the coordination between the carboxylates of CMC and metal ion.Fourier transform infrared spectroscopy(FTIR) was applied to studying the coordination mode of CMC and metal ion.The metal salt concentration,pH value and temperature of the coagulation bath affect the tenacity and elongation of the fiber.CMC fibers show good water uptake ability and can adsorb water more than 200% of its own weight.The mechanical behaviors of CMC fiber show dependence on environment humidity.
文摘Purpose: The purpose of this study is to assess molecular interactions between several anticancer drugs and an iodinated contrast medium by Fourier transform infrared spectroscopy (FT-IR) and ultraviolet-visible spectroscopy (UV-Vis). Materials and Methods: Iopamidol (IPM) was used as an iodinated contrast medium, and mitomycin C (MTI), epirubicin hydrochloride (EPI), cisplatin (CDDP), 5-fluorouracil (5FU), irinotecan hydrochloride (CPT11), gemcitabine hydrochloride (dFdC), carboplatin (CBDCA), oxaliplatin (1OHP), paclitaxel hydrochloride (TAX) and docetaxel trihydrate (TXT) were used as anticancer drugs. For FT-IR, the purified IPM was mixed stoichiometrically with each anticancer drug as well as with a combination of MTI and EPI. After measuring each separated sample and the mixtures, the spectra of the mixtures were compared with the spectra of the sum of pure samples or the combination. For UV-Vis, IPM and anticancer drugs were dissolved in pure water;subsequently for the titration experiments, the mixtures were prepared by varying the molar ratio. IR absorption corresponds to stretching vibrations between atoms having covalent bonding, whereas UV-Vis spectra depend on molecular dynamics and shapes. Both UV-Vis and IR spectra change when there are molecular interactions such as aromatic ring stacking and hydrogen bonding. Result: IPM exhibited molecular interactions with MTI, EPI, CDDP, dFdC, CBDCA, 1OHP, TAX and TXT, as well as with the combination of MTI and EPI on FT-IR. However, molecular interactions were not observed on UV-Vis. Conclusion: Several anticancer drugs have molecular interactions with IPM, which could be clinically utilized for superselective intraarterial infusion chemotherapy.
基金supported by the Key R&D project of Shaanxi Province(grant No.2022zDLSF06-07)Chinese Academy of Sciences(CAS)“Light of West China”Program(grant No.XAB2021YN06)the State Key Laboratory of Loess and Quaternary Geology,Institute of Earth Environment,CAs(grant No.SKLLQG2103,SKLLQG2110)was also thanked.
文摘Humic-like substances(HULIS)are a major component of brown carbon and consequently play a major role in climate change.In this study,70 PM_(2.5) samples were collected from Xi'an in winter 2019 and summer 2020.Neutral HULIS(HULIS-n),acidic HULIS(HULIS-a),and high-polarity water-soluble organic compounds(HP-WSOC)were analyzed to determine their carbon concentrations and measure their ultraviolet-visible absorption and infrared spectra.Of the three components,HULIS-n had the highest carbon content in both winter(3.29±1.45μg m^(-3))and in summer(1.38±1.10μg m^(-3)).The semi-quantitative results for the functional groups revealed that HP-WSOC was rich in carboxylic acids and had high aromaticity in winter,whereas HULIS-n was rich in carboxylic acids in summer.Moreover,HULJS-a was richer in nitrate esters and saturated aliphatic hydrocarbons in summer than in winter.The results for specific ultraviolet absorbance(SUVA)and E_(250)/E_(365) revealed that HULIS had higher molecular weight and aromaticity in winter than in summer.HULIS-n dominated in the total light absorption of HULIS+HP-WSOC in both winter(73.08%)and summer(48.57%).Overall,the results on the carbon content,optical properties,and functional groups of WSOCs with differing polarity can improve un-derstanding of environmental and climatic effects.
基金funded by the Deutsche Forschungsgemeinschaft(DFG,German Research Foundation)-Project-ID 422037413-TRR 287Gefördert durch die Deutsche Forschungsgemeinschaft(DFG)-Projektnummer 422037413-TRR 287.
文摘A novel test rig for the investigation of radiative heat transfer in packed beds has been developed and is introduced with representative experimental results.The individual components and the calibration are discussed.The generic packed bed is realized in a simplified way by an arrangement of parallel rods,which represent particles in pseudo-2D.In this arrangement,electrically heated rods provide the radiation propagating through the rod array to heat the passive counterparts.A sophisticated temperature-control scheme with a large number of thermocouples and infrared-imaging provides in-depth information about heat transfer in the system.Spectral radiation intensities are determined with a Fourier-transform infrared spectroscopy,which has been modified and validated for this specific application.In order to compare the influence of different surface properties of particles on the heat propagation and surface reflections,rod samples made of stainless steel and magnesium oxide are used.The influence of material properties becomes clearly visible by comparing the high radiation intensities resulting from a stainless steel rod array to the same geometry built from magnesium oxide rods.In addition,the influence of the surface properties is particularly evident in the infrared images since the reflections are significantly higher for the stainless steel samples than for the magnesium oxide samples.The experimental results in the current work demonstrate the ability of the test rig to provide data with a well-defined accuracy as a validation base for numerical radiation simulations in packed beds.
基金supported by the National Natural Science Foundation of China(No.31701516).
文摘To clarify the effect of aluminum stress on the quality of Enteromorpha prolifera(E.prolifera)and to explore the mechanism of the combination of aluminum and E.prolifera,we analyzed changes in the nutrients,micromorphology,element distribution,and spectrum of E.prolifera treated with different concentrations of aluminum(0,0.2,2.0,and 20.0μmol· L^(-1))using scanning electron microscopy-energy dispersive spectroscopy(SEM-EDX)and Fourier-transform infrared spectroscopy(FT-IR).The biomass,protein,dietary fiber,and ash contents of E.prolifera initially increased and then subsequently decreased with an increasing concentration of aluminum.Meanwhile,the total amount of amino acids decreased.Scanning the surface of E.prolifera by SEM-EDX revealed that a high concentration of aluminum damaged the cells of E.prolifera.Additionally,the content of aluminum on the surface of E.prolifera cells increased and the absorption of other elements was also affected.The FT-IR analysis showed that aluminum might combine with the functional groups at the 3408 cm^(-)1,2928 cm1,and 1072 cm^(-)1 peaks in E.prolifera and alter the characteristic of the different absorption peaks.
文摘The fluorogenic property of guaiacol was exploited for the first time to analyze the interaction with target protein as a probe by molecular modeling, fluorescence, circular dichroism (CD) and Fourier transform infrared (FT-IR) spectroscopy. Molecular docking was performed to reveal the possible binding mode or mechanism and suggested that guaiacol can strongly bind to human immu- noglobulin (HIgG). It is considered that guaiacol binds to HIgG mainly by a hydrophobic interaction and there are two hydrogen bond interactions between the drug and the residues LEU 80 and ASP 65, which is in good agreement with the results from the experimental thermodynamic parameters (the enthalpy change △H0 and the entropy change △S0 were calculated to be 65.55 kJ·mol-1 and 132.95 J·mol-1·K-1 according to the Vant’ Hoff equation). Data obtained by the fluorescence spectroscopy indicated that binding of guaiacol with HIgG leads to dramatic enhancement in the fluorescence emission intensity along with significant occurrence of efficient Frster resonance energy transfer (FRET) from the residue of HIgG to the protein bound guaiacol. From the low value of fluorescence anisotropy (r = 0.06), it is argued that the probe molecule is located in the motionally unrestricted environment of the protein. The alterations of protein’s secondary structure in the presence of guaiacol in aqueous solution were quantitatively calculated by the evidences from FT-IR and CD spectroscopes.
基金financially supported by research project 171/ 2012(M.A.Naghiu) thanks the financial support of the Sectoral Operational Programme for Human Resources Development 2007-2013,co-financed by the European Social Fund,under the project No.POSDRU/107/1.5/S/76841, 76841F.Kristaly thanks for support of the European Union and the European Social Fund under the grant agreement No. TAMOP-4.2.1.B-10/2/KONV-2010-0001
文摘Forsterite, a new biocompatible material was synthesized from Mg(NO3)2.6H20 and TEOS by using the sol-gel method. The material was then heated at 800, 900 and 1000 ℃. The forsterite was noticed as the main crystalline phase in the material fired at 900 and 1000 ℃, while periclase (MgO) was present in all the samples. The tests confirm that in the first two samples forsterite is present as crystallites 〈60 nm, while in the sample synthesized at 1000 ℃ it forms aggregates of micrometre-sized grains. In vitro test was performed by immersing the forsterite powder in the simulating body fluids (SBF) and hydroxyapatite formation on the surface was investigated. We could evidence the formation of hydroxyapatite on the forsterite surface after 7 days of immersion. The MTT test confirmed that forsterite powders dissolution promote osteoblast proliferation of the human-type osteoblasts with no significant cytotoxicity effects.